1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine

• ChemBase ID: 340156
• Molecular Formular: C21H30N4O
• Molecular Mass: 354.4891
• Monoisotopic Mass: 354.2419616
• SMILES: n1c(noc1CNC1CN(CC2CCCCC2)CCC1)c1ccccc1
• Canonical SMILES: C1CCC(CC1)CN1CCCC(C1)NCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C21H30N4O/c1-3-8-17(9-4-1)15-25-13-7-12-19(16-25)22-14-20-23-21(24-26-20)18-10-5-2-6-11-18/h2,5-6,10-11,17,19,22H,1,3-4,7-9,12-16H2
• InChIKey: LOUPIGUGVHYMBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
• Synonyms: 1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.95773
• LogD (pH = 7.4): 2.5839922
• Log P: 4.2902155
• Molar Refractivity: 115.6355 cm^3
• Polarizability: 41.26335 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.56
• LOG S: -3.46
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6